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root/OpenMD/branches/development/src/visitors/LipidTransVisitor.cpp
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Comparing trunk/src/visitors/LipidTransVisitor.cpp (file contents):
Revision 450 by tim, Mon Mar 28 22:41:19 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 43 | Line 43 | namespace oopse {
43   #include "utils/simError.h"
44  
45   namespace oopse {
46 < LipidTransVisitor::LipidTransVisitor(SimInfo* info, const std::string& originSeleScript, const std::string& refSeleScript)
46 >  LipidTransVisitor::LipidTransVisitor(SimInfo* info, const std::string& originSeleScript, const std::string& refSeleScript)
47      : BaseVisitor(), info_(info), originEvaluator_(info), originSeleMan_(info), refEvaluator_(info), refSeleMan_(info), refSd_(NULL) {
48  
49  
50 <    visitorName = "LipidTransVisitor";
50 >      visitorName = "LipidTransVisitor";
51      
52 <    originEvaluator_.loadScriptString(originSeleScript);            
53 <    if (!originEvaluator_.isDynamic()) {  
52 >      originEvaluator_.loadScriptString(originSeleScript);            
53 >      if (!originEvaluator_.isDynamic()) {  
54          originSeleMan_.setSelectionSet(originEvaluator_.evaluate());
55          if (originSeleMan_.getSelectionCount() == 1) {
56 <            int i;
57 <            originDatom_ = dynamic_cast<DirectionalAtom*>(originSeleMan_.beginSelected(i));
58 <            if (originDatom_ ==  NULL) {
59 <                sprintf(painCave.errMsg, "LipidTransVisitor: origin selection must select an directional atom");
60 <                painCave.isFatal = 1;
61 <                simError();                  
62 <            }
56 >          int i;
57 >          originDatom_ = dynamic_cast<DirectionalAtom*>(originSeleMan_.beginSelected(i));
58 >          if (originDatom_ ==  NULL) {
59 >            sprintf(painCave.errMsg, "LipidTransVisitor: origin selection must select an directional atom");
60 >            painCave.isFatal = 1;
61 >            simError();                  
62 >          }
63          } else {
64 <            sprintf(painCave.errMsg, "LipidTransVisitor: origin selection must select an directional atom");
65 <            painCave.isFatal = 1;
66 <            simError();                  
64 >          sprintf(painCave.errMsg, "LipidTransVisitor: origin selection must select an directional atom");
65 >          painCave.isFatal = 1;
66 >          simError();                  
67              
68          }
69 <    }
69 >      }
70  
71 <    refEvaluator_.loadScriptString(refSeleScript);
72 <    if (!refEvaluator_.isDynamic()) {  
71 >      refEvaluator_.loadScriptString(refSeleScript);
72 >      if (!refEvaluator_.isDynamic()) {  
73          refSeleMan_.setSelectionSet(refEvaluator_.evaluate());
74          if (refSeleMan_.getSelectionCount() == 1) {
75 <            int i;
76 <            refSd_ = refSeleMan_.beginSelected(i);
75 >          int i;
76 >          refSd_ = refSeleMan_.beginSelected(i);
77              
78          } else {
79 <            //error
79 >          //error
80              
81          }
82 <    }
82 >      }
83      
84 < }
84 >    }
85  
86 < void LipidTransVisitor::update() {
86 >  void LipidTransVisitor::update() {
87  
88 <        Vector3d ref = refSd_->getPos();
89 <        origin_ = originDatom_->getPos();
90 <        Vector3d v1 =  ref - origin_;
91 <        info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1);
92 <        Vector3d zaxis = originDatom_->getElectroFrame().getColumn(2);
93 <        Vector3d xaxis = cross(v1, zaxis);
94 <        Vector3d yaxis = cross(zaxis, xaxis);
88 >    Vector3d ref = refSd_->getPos();
89 >    origin_ = originDatom_->getPos();
90 >    Vector3d v1 =  ref - origin_;
91 >    info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1);
92 >    Vector3d zaxis = originDatom_->getElectroFrame().getColumn(2);
93 >    Vector3d xaxis = cross(v1, zaxis);
94 >    Vector3d yaxis = cross(zaxis, xaxis);
95  
96 <        xaxis.normalize();
97 <        yaxis.normalize();
98 <        zaxis.normalize();
96 >    xaxis.normalize();
97 >    yaxis.normalize();
98 >    zaxis.normalize();
99          
100 <        rotMat_.setRow(0, xaxis);
101 <        rotMat_.setRow(1, yaxis);
102 <        rotMat_.setRow(2, zaxis);
100 >    rotMat_.setRow(0, xaxis);
101 >    rotMat_.setRow(1, yaxis);
102 >    rotMat_.setRow(2, zaxis);
103  
104  
105 < }
105 >  }
106  
107 < void LipidTransVisitor::internalVisit(StuntDouble *sd) {
107 >  void LipidTransVisitor::internalVisit(StuntDouble *sd) {
108      GenericData *                     data;
109      AtomData *                        atomData;
110      AtomInfo *                        atomInfo;
# Line 113 | Line 113 | void LipidTransVisitor::internalVisit(StuntDouble *sd)
113      data = sd->getPropertyByName("ATOMDATA");
114  
115      if (data != NULL) {
116 <        atomData = dynamic_cast<AtomData *>(data);
116 >      atomData = dynamic_cast<AtomData *>(data);
117  
118 <        if (atomData == NULL)
119 <            return;
118 >      if (atomData == NULL)
119 >        return;
120      } else
121 <        return;
121 >      return;
122  
123      Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
124      
125      for( atomInfo = atomData->beginAtomInfo(i); atomInfo; atomInfo = atomData->nextAtomInfo(i) ) {
126  
127 <        Vector3d tmp= atomInfo->pos - origin_;
128 <        currSnapshot->wrapVector(tmp);
129 <        atomInfo->pos = rotMat_ * tmp;;
130 <        atomInfo->dipole = rotMat_ * atomInfo->dipole;
127 >      Vector3d tmp= atomInfo->pos - origin_;
128 >      currSnapshot->wrapVector(tmp);
129 >      atomInfo->pos = rotMat_ * tmp;;
130 >      atomInfo->dipole = rotMat_ * atomInfo->dipole;
131      }
132 < }
132 >  }
133  
134 < const std::string LipidTransVisitor::toString() {
134 >  const std::string LipidTransVisitor::toString() {
135      char        buffer[65535];
136      std::string result;
137  
# Line 151 | Line 151 | const std::string LipidTransVisitor::toString() {
151      result += buffer;
152  
153      return result;
154 < }
154 >  }
155  
156   }

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